3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one

C22H22O — CID 123805780

IUPAC3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one
SMILESCCC(C)C(=O)Cc1ccc2ccccc2c1-c1ccccc1
InChIInChI=1S/C22H22O/c1-3-16(2)21(23)15-19-14-13-17-9-7-8-12-20(17)22(19)18-10-5-4-6-11-18/h4-14,16H,3,15H2,1-2H3
InChIKeyPFFBXQVRUKODSV-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.66
Rot. Bonds5

About 3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one

3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one (PubChem CID 123805780) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one
PubChem CID123805780
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one
SMILESCCC(C)C(=O)Cc1ccc2ccccc2c1-c1ccccc1
InChIInChI=1S/C22H22O/c1-3-16(2)21(23)15-19-14-13-17-9-7-8-12-20(17)22(19)18-10-5-4-6-11-18/h4-14,16H,3,15H2,1-2H3
InChIKeyPFFBXQVRUKODSV-UHFFFAOYSA-N
XLogP5.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate
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1,2-diphenylnaphthalene
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1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one
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1-(1,3-benzoxazol-2-yl)-3-methylpentan-2-one
CID 43118363
ethane;2-methylbutane;9-phenyl-10-(4-phenylphenyl)anthracene
CID 160542444
2-methylbutanoyl(triphenyl)phosphanium
CID 175177571
(1R,4R)-1-hydroxy-4-methyl-1-phenylhexan-3-one
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CID 175342877
CID 175342877
(1-phenylnaphthalen-2-yl)phosphane;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one?
The IUPAC name of 3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one (CID 123805780) is 3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one.
What is the SMILES notation for 3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one?
The canonical SMILES for 3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one is CCC(C)C(=O)Cc1ccc2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one?
The InChIKey is PFFBXQVRUKODSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-3-16(2)21(23)15-19-14-13-17-9-7-8-12-20(17)22(19)18-10-5-4-6-11-18/h4-14,16H,3,15H2,1-2H3.
What are the key properties of 3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one?
3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one has a molecular weight of 302.42 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one is sourced from PubChem (CID 123805780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).